Table 1 Data-collection and refinement statistics
From: An archaeal nucleoid-associated protein binds an essential motif in DNA replication origins
|  | UBP WT Crystal 1 | UBP WT Crystal 2* | UBP–DNA |
|---|---|---|---|
Data collection | |||
Wavelength (Ã…) | 1.24984 | 1.24984 | 0.91165 |
Space group | C2221 | P21 | P21 |
Cell dimensions | |||
a, b, c (Ã…) | 95.01 159.67 47.31 | 86.90 165.54 47.64 | 37.74 136.05 38.38 |
α, β, γ (°) | 90.00 90.00 90.00 | 90.00 90.00 90.00 | 90.00 109.12 90.00 |
Resolution** (Å) | 47.31–2.73 (2.86–2.73) | 47.64–2.59 (2.60–2.59) | 68.03–1.82 (1.86–1.82) |
Rsym | 0.115 (1.940) | 0.073 (1.033) | 0.106 (0.950) |
Rmeas | 0.119 (1.986) | 0.086 (1.216) | 0.115 (1.040) |
Rpim | 0.032 (0.557) | 0.045 (0.636) | 0.043 (0.416) |
Total reflections | 136662 (16819) | 153763 (1503) | 222797 (9409) |
No. unique reflections | 9913 (1279) | 41929 (417) | 31882 (1535) |
CC1/2 | 0.999 (0.894) | 0.999 (0.447) | 0.995 (0.884) |
I/σ(I) | 22.6 (1.9) | 13.2 (1.0) | 11.8 (1.7) |
Completeness (%) | 99.6 (99.5) | 99.9 (100.0) | 98.4 (96.4) |
Multiplicity | 13.8 (13.2) | 3.7 (3.6) | 7.0 (6.1) |
Wilson B-factor | 62.10 | 54.33 | 25.21 |
Refinement | |||
Resolution (Å) | 40.82–2.73 | 47.64–2.59 | 35.66–1.82 |
No. unique reflections | 9746 (890) | 41726 (4193) | 31170 (3109) |
Rwork | 0.2675 (0.3751) | 0.2216 (0.2838) | 0.1834 (0.2821) |
Rfree | 0.2779 (0.4246) | 0.2553 (0.3566) | 0.2402 (0.3060) |
R.m.s.d values | |||
Bond lengths (Ã…) | 0.003 | 0.004 | 0.006 |
Bond angles (°) | 0.462 | 0.696 | 1.159 |
No. of atoms | |||
Macromolecule | 1744 | 7145 | 2707 |
Ligands | 48 | 75 | – |
solvent | 27 | 311 | 366 |
B-factors (Ã…2) | |||
Protein | 85.02 | 70.59 | 38.31 |
Ligand/ions | 81.89 | 56.10 | – |
solvent | 57.15 | 48.83 | 40.80 |
Ramachandran plot | |||
Favored (%) | 97.4 | 97.4 | 99.0 |
Allowed (%) | 2.6 | 2.6 | 1.0 |
Outliers (%) | 0.0 | 0.0 | 0.0 |
Clashscore | 15.4 | 8.26 | 3.97 |
Rotamer outliers (%) | 0.0 | 1.0 | 0.0 |
PDB code | 9EFD | 9EFE | 9EFF |
